3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

C20H27N5O — CID 91796859

IUPAC3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(C2CC(O)C2)cc(N2CCN(CCc3ccccc3)CC2)n1
InChIInChI=1S/C20H27N5O/c21-20-22-18(16-12-17(26)13-16)14-19(23-20)25-10-8-24(9-11-25)7-6-15-4-2-1-3-5-15/h1-5,14,16-17,26H,6-13H2,(H2,21,22,23)
InChIKeyJPGKAXYPHJAIEN-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.66
Rot. Bonds5

About 3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91796859) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91796859
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(C2CC(O)C2)cc(N2CCN(CCc3ccccc3)CC2)n1
InChIInChI=1S/C20H27N5O/c21-20-22-18(16-12-17(26)13-16)14-19(23-20)25-10-8-24(9-11-25)7-6-15-4-2-1-3-5-15/h1-5,14,16-17,26H,6-13H2,(H2,21,22,23)
InChIKeyJPGKAXYPHJAIEN-UHFFFAOYSA-N
XLogP1.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91764195
1-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]azetidin-3-ol
CID 91779555
4-(3-aminocyclobutyl)-6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine;dihydrochloride
CID 154902813
4-cyclopropyl-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 138029939
3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91788557
3-[2-amino-6-[3-[(3-fluorophenyl)methoxy]azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91791280
4-[(3S)-oxolan-3-yl]-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-2-amine
CID 126430353
8-[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 91839631
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 159078071
4-(3-aminocyclobutyl)-6-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrimidin-2-amine
CID 91788988
1-(6-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 133313558
4-(2-phenylethyl)-6-piperazin-1-ylpyrimidin-2-amine
CID 24996534

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (CID 91796859) is 3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is Nc1nc(C2CC(O)C2)cc(N2CCN(CCc3ccccc3)CC2)n1.
What is the InChIKey of 3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is JPGKAXYPHJAIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c21-20-22-18(16-12-17(26)13-16)14-19(23-20)25-10-8-24(9-11-25)7-6-15-4-2-1-3-5-15/h1-5,14,16-17,26H,6-13H2,(H2,21,22,23).
What are the key properties of 3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 353.47 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91796859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).